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canSAR563686
FEATURES
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NAMES
    SMILES
    CC1CC(N)CC(O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)O1.Cl
    InChI
    InChI=1S/C25H27NO8.ClH/c1-11-6-12(26)7-17(33-11)34-16-9-25(32,10-27)8-15-18(16)24(31)20-19(23(15)30)21(28)13-4-2-3-5-14(13)22(20)29;/h2-5,11-12,16-17,27,30-32H,6-10,26H2,1H3;1H/t11?,12?,16-,17?,25-;/m0./s1
    MOLECULAR FORMULA
    C25H28ClNO8
    CROSS REFERENCES
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    canSAR563686

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.15
    AlogP 1.87
    HBond donors 6
    HBond acceptors 9
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR563686.